SCHEMBL13633148

SCHEMBL13633148

Cc1cnc2nc1Nc1ccc(NC(=O)C[C@H]3CCN(C(=O)Nc4ccc(F)cc4)C3)c(c1)CCc1cncc(c1)N2

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
NAMPT P43490 4/20 0.34
JAK2 O60674 2/20 0.33
ALK Q9UM73 1/20 0.33
POLB P06746 1/20 0.33
RAF1 P04049 1/20 0.33
LMNA P02545 2/20 0.32
KMT2A Q03164 2/20 0.32
TACR2 P21452 1/20 0.32
TACR1 P25103 1/20 0.32
CCR3 P51677 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13634058 0.96 NAMPT (0.37) NAMPTALKLMNAKMT2ATACR2
SCHEMBL1075696 0.93 ALK (0.39) RAB9ANPC1MAPTNAMPTJAK2
SCHEMBL1074851 0.93 ALK (0.39) RAB9ANPC1MAPTNAMPTJAK2
SCHEMBL13633083 0.92 NAMPT (0.37) MAPTNAMPTJAK2ALKLMNA
SCHEMBL13633015 0.91 ALK (0.36) JAK2ALKJAK1TYK2JAK3
SCHEMBL13633248 0.90 TACR2 (0.36) RAB9ANPC1MAPTJAK2ALK
SCHEMBL13633096 0.90 FAAH (0.36) NAMPTJAK2ALK
Trifluoroacetic Acid SCHEMBL4356397 0.89 ALK (0.37) MAPTNAMPTJAK2ALKLMNA
Trifluoroacetic Acid SCHEMBL4359845 0.89 ALK (0.37) MAPTNAMPTJAK2ALKLMNA
SCHEMBL13633107 0.89 ALK (0.36) JAK2ALKJAK1TYK2JAK3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK RAB9A 1998/4885NPC1 2849/4885MAPT 3239/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.